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Hiromi Nakai

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2008
10EEYutaka Imamura, Hiromi Nakai: Energy density analysis for second-order Møller-Plesset perturbation theory and coupled-cluster theory with singles and doubles: Application to C2H4-CH4 complexes. Journal of Computational Chemistry 29(10): 1555-1563 (2008)
9EETakashi Tsuchimochi, Masato Kobayashi, Ayako Nakata, Yutaka Imamura, Hiromi Nakai: Application of the Sakurai-Sugiura projection method to core-excited-state calculation by time-dependent density functional theory. Journal of Computational Chemistry 29(14): 2311-2316 (2008)
8EEYutaka Imamura, Hiroyoshi Kiryu, Hiromi Nakai: Colle-Salvetti-type correction for electron-nucleus correlation in the nuclear orbital plus molecular orbital theory. Journal of Computational Chemistry 29(5): 735-740 (2008)
2007
7EETomoko Akama, Masato Kobayashi, Hiromi Nakai: Implementation of divide-and-conquer method including Hartree-Fock exchange interaction. Journal of Computational Chemistry 28(12): 2003-2012 (2007)
6EEYutaka Imamura, Takao Otsuka, Hiromi Nakai: Description of core excitations by time-dependent density functional theory with local density approximation, generalized gradient approximation, meta-generalized gradient approximation, and hybrid functionals. Journal of Computational Chemistry 28(12): 2067-2074 (2007)
5EETakao Otsuka, Hiromi Nakai: Wavelet transform analysis of ab initio molecular dynamics simulation: Application to core-excitation dynamics of BF3. Journal of Computational Chemistry 28(6): 1137-1144 (2007)
2006
4EEHiromi Nakai, Yasuaki Kikuchi: Energy density analysis of cluster size dependence of surface-molecule interactions (II): Formate adsorption onto a Cu(111) surface. Journal of Computational Chemistry 27(8): 917-925 (2006)
2005
3EEMari Tamaoki, Yusuke Yamauchi, Hiromi Nakai: Short-time Fourier transform analysis of ab initio molecular dynamics simulation: Collision reaction between CN and C4H6. Journal of Computational Chemistry 26(5): 436-442 (2005)
2004
2EEAyako Nakata, T. Baba, H. Takahashi, Hiromi Nakai: Theoretical study on the excited states of psoralen compounds bonded to a thymine residue. Journal of Computational Chemistry 25(2): 179-188 (2004)
1EEAyako Nakata, T. Baba, H. Takahashi, Hiromi Nakai: Theoretical study on the excited states of psoralen compounds bonded to a thymine residue. Journal of Computational Chemistry 25(3): 309 (2004)

Coauthor Index

1Tomoko Akama [7]
2T. Baba [1] [2]
3Yutaka Imamura [6] [8] [9] [10]
4Yasuaki Kikuchi [4]
5Hiroyoshi Kiryu [8]
6Masato Kobayashi [7] [9]
7Ayako Nakata [1] [2] [9]
8Takao Otsuka [5] [6]
9H. Takahashi [1] [2]
10Mari Tamaoki [3]
11Takashi Tsuchimochi [9]
12Yusuke Yamauchi [3]

Colors in the list of coauthors

Copyright © Sun May 17 03:24:02 2009 by Michael Ley (ley@uni-trier.de)